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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02212976

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PM69H-purine-6-thiolA,B3BGD0.72
6AP9H-PURINE-2,6-DIAMINEA2B570.79
ADZ9-METHYL-9H-PURIN-6-AMINEA1O9U0.73
M1A6-AMINO-1-METHYLPURINEA1B420.77
A2F2-fluoroadenineA3GOT0.77
A2F2-fluoroadenineA,B,C3GB90.77
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A1W1Q0.72
ZIPN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-
6-AMINE
A2EXM0.72
3MA6-AMINO-3-METHYLPURINEA3MAG0.77
AZG5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-7-OL
E1V410.71
6GO6-O-methylguanineA3FO61
6GO6-O-methylguanineA3GES1
9MG9-METHYLGUANINEA1RRW0.81
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D2FLH0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B,C,D3C0V0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A2QIM0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
ZEA(2E)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A1W1R0.72
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
UN45-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-
2-PYRROLIDINONE
A1H0V0.78
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.7
CFP6-CHLORO-2-FLUOROPURINEA1JDJ0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.72
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.73
301N6-(penta-2,3-dienyl)adenineA3BW70.71
CMG6-O-CYCLOHEXYLMETHYL GUANINEA,C1H1P0.83
CMG6-O-CYCLOHEXYLMETHYL GUANINEA1E1V0.83
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.7
ADEADENINEA1WEI0.79
ADEADENINEA2QLU0.79
ADEADENINEA,B2H8G0.79
ADEADENINEA,B1HQC0.79
ADEADENINEA1AHA0.79
ADEADENINEA,B,C,D,E,F,
G,H
1BJQ0.79
ADEADENINEA,B,D1YXM0.79
ADEADENINEA1CB00.79
ADEADENINEA,B2QTT0.79
ADEADENINEA,B,C1XE80.79
ADEADENINEA,B1M2T0.79
ADEADENINEA2P8N0.79
ADEADENINEA,B,C2PQJ0.79
ADEADENINEA,B,C1VRL0.79
ADEADENINEA,B3BSF0.79
ADEADENINEX1Y260.79
ADEADENINEA,B1ZN70.79
ADEADENINEA,B1Z5N0.79
ADEADENINEA1QB70.79
ADEADENINEA1LU10.79
ADEADENINEA,B1Q8Y0.79
ADEADENINEA2QES0.79
ADEADENINEA2PUB0.79
ADEADENINEA1Z8D0.79
ADEADENINEA1JH80.79
ADEADENINEA1QD20.79
ADEADENINEA2ICS0.79
ADEADENINEA1IFS0.79
ADEADENINEA1NLI0.79
ADEADENINEA,B1D2A0.79
ADEADENINEA1GIU0.79
ADEADENINEA1J1R0.79
ADEADENINEA2QET0.79
ADEADENINEA,B,C1OD40.79
ADEADENINEA,B1QCI0.79
ADEADENINEA,B,C,D,E,F2GA40.79
ADEADENINEA,B1JYS0.79
ADEADENINEA1LPD0.79
ADEADENINEA,B1OD20.79
ADEADENINEA1WTA0.79
ADEADENINEA,B,C1S2D0.79
ADEADENINEA1MUD0.79
ADEADENINEA2PUE0.79
ZEZ(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-
2-en-1-ol
A,B3D7W0.72
2BP9H-purin-2-amineA3G4M0.72
6OGA,B,C,D,E,F2HHW0.71
6OGA,B,C,D,E,F2HVH0.71
6OGA,B1D240.71
6OGA,T2J6S0.71
6OGA,C2HW30.71
6OGA,T2J6T0.71
6OGA,P,T2J6U0.71
6OGA,C2HHT0.71
6OGA,B218D0.71
6OGA,C2HHX0.71
6OGA,B2HHQ0.71
6OGA,C2HHV0.71
6OGA,B,E2O8C0.71
6OGA,B153D0.71
6OGB1T380.71
6OGA,B2HHS0.71
6OGA,C2HHU0.71
6OGA,B1D270.71
BCP2-BROMO-6-CHLORO-PURINEA1M660.72
BCP2-BROMO-6-CHLORO-PURINEA1N1G0.72
N696-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-
9H-PURIN-2-AMINE
A1W8C0.78
MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-
6-YL)OXY]-3-METHYL-2-BUTANOL
A1GZ80.85
6GU6-chloroguanineA3FO40.74
6GU6-chloroguanineA3GOG0.74
6GU6-chloroguanineA3GER0.74
6MP6-METHYLPURINEA,B,C1OU40.73
6MP6-METHYLPURINEA,B,C1OTY0.73
6MP6-METHYLPURINEA2PUA0.73
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
BP16-BROMO-7H-PURINEA,B,C1S2I0.73
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1D850.71
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B130D0.71
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B144D0.71
G36O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B128D0.71
BOA2-BROMO-6-HYDROXY-PURINEA1M670.83
HA8N6-(buta-2,3-dienyl)adenineA3C0P0.71